2,5-dimethylpyrazole-3-carbaldehyde

C6H8N2O — CID 2776362

IUPAC2,5-dimethylpyrazole-3-carbaldehyde
SMILESCc1cc(C=O)n(C)n1
InChIInChI=1S/C6H8N2O/c1-5-3-6(4-9)8(2)7-5/h3-4H,1-2H3
InChIKeyJWYFGNVBKRJGTN-UHFFFAOYSA-N
MW124.14 g/mol
LogP0.54
Rot. Bonds1

About 2,5-dimethylpyrazole-3-carbaldehyde

2,5-dimethylpyrazole-3-carbaldehyde (PubChem CID 2776362) has the molecular formula C6H8N2O and a molecular weight of 124.14 g/mol. Its IUPAC name is 2,5-dimethylpyrazole-3-carbaldehyde.

Molecular Properties

Compound Name2,5-dimethylpyrazole-3-carbaldehyde
PubChem CID2776362
Molecular FormulaC6H8N2O
Molecular Weight124.14 g/mol
Exact Mass124.06
IUPAC Name2,5-dimethylpyrazole-3-carbaldehyde
SMILESCc1cc(C=O)n(C)n1
InChIInChI=1S/C6H8N2O/c1-5-3-6(4-9)8(2)7-5/h3-4H,1-2H3
InChIKeyJWYFGNVBKRJGTN-UHFFFAOYSA-N
XLogP0.54
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.14
LogP ≤ 50.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

1,5-dimethyl-1H-pyrazole-3-carbaldehyde
CID 7017101
N,1,5-trimethyl-1H-pyrazole-3-carboxamide
CID 19279808
2,5-Dimethyl-2H-pyrazole-3-carbonyl chloride
CID 2736299
1-Ethyl-3-methyl-1H-pyrazole-5-carbonyl chloride
CID 2737415
1-(1,3-dimethyl-1H-pyrazol-5-yl)ethan-1-one
CID 7017503
1-methyl-1H-pyrazole-5-carbaldehyde
CID 7019414
1-ethyl-3-methyl-1H-pyrazole-5-carbonyl isothiocyanate
CID 66120676
3-Chloro-1-methyl-1H-pyrazole-5-carbaldehyde
CID 17794478
1-(1-methyl-3-(trifluoromethyl)-1H-pyrazol-5-yl)ethan-1-one
CID 19619407
1,5-Dimethyl-1H-Pyrazole-3-Carbonyl Chloride
CID 2776364
1-ethyl-1H-pyrazole-5-carbaldehyde
CID 7009534
4H,5H,6H-pyrrolo(1,2-b)pyrazole-2-carbaldehyde
CID 11286491

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethylpyrazole-3-carbaldehyde?
The IUPAC name of 2,5-dimethylpyrazole-3-carbaldehyde (CID 2776362) is 2,5-dimethylpyrazole-3-carbaldehyde.
What is the SMILES notation for 2,5-dimethylpyrazole-3-carbaldehyde?
The canonical SMILES for 2,5-dimethylpyrazole-3-carbaldehyde is Cc1cc(C=O)n(C)n1.
What is the InChIKey of 2,5-dimethylpyrazole-3-carbaldehyde?
The InChIKey is JWYFGNVBKRJGTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2O/c1-5-3-6(4-9)8(2)7-5/h3-4H,1-2H3.
What are the key properties of 2,5-dimethylpyrazole-3-carbaldehyde?
2,5-dimethylpyrazole-3-carbaldehyde has a molecular weight of 124.14 g/mol, XLogP of 0.54, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethylpyrazole-3-carbaldehyde is sourced from PubChem (CID 2776362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).